(3S,4S)-2-cyclopentyl-3-(2-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3S,4S)-2-cyclopentyl-3-(2-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3S,4S)-2-cyclopentyl-3-(2-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4S)-2-cyclopentyl-3-(2-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3S,4S)-2-cyclopentyl-3-(2-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4S)-2-cyclopentyl-1-keto-3-(2-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylate Formula: C22H22NO4- MolecularWeight: 364.41438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C(C3=CC=CC=C3C(=O)N2C4CCCC4)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1[C@@H]2[C@H](C3=CC=CC=C3C(=O)N2C4CCCC4)C(=O)[O-]

InChI

InChI=1S/C22H23NO4/c1-27-18-13-7-6-12-17(18)20-19(22(25)26)15-10-4-5-11-16(15)21(24)23(20)14-8-2-3-9-14/h4-7,10-14,19-20H,2-3,8-9H2,1H3,(H,25,26)/p-1/t19-,20+/m0/s1